4-fluoro-N-methylcyclohex-3-en-1-amine

C7H12FN — CID 59640412

IUPAC4-fluoro-N-methylcyclohex-3-en-1-amine
SMILESCNC1CC=C(F)CC1
InChIInChI=1S/C7H12FN/c1-9-7-4-2-6(8)3-5-7/h2,7,9H,3-5H2,1H3
InChIKeySRTUDNFCVRCEKJ-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.61
Rot. Bonds1

About 4-fluoro-N-methylcyclohex-3-en-1-amine

4-fluoro-N-methylcyclohex-3-en-1-amine (PubChem CID 59640412) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 4-fluoro-N-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methylcyclohex-3-en-1-amine
PubChem CID59640412
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name4-fluoro-N-methylcyclohex-3-en-1-amine
SMILESCNC1CC=C(F)CC1
InChIInChI=1S/C7H12FN/c1-9-7-4-2-6(8)3-5-7/h2,7,9H,3-5H2,1H3
InChIKeySRTUDNFCVRCEKJ-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methylcyclohex-3-en-1-amine?
The IUPAC name of 4-fluoro-N-methylcyclohex-3-en-1-amine (CID 59640412) is 4-fluoro-N-methylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-fluoro-N-methylcyclohex-3-en-1-amine?
The canonical SMILES for 4-fluoro-N-methylcyclohex-3-en-1-amine is CNC1CC=C(F)CC1.
What is the InChIKey of 4-fluoro-N-methylcyclohex-3-en-1-amine?
The InChIKey is SRTUDNFCVRCEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-9-7-4-2-6(8)3-5-7/h2,7,9H,3-5H2,1H3.
What are the key properties of 4-fluoro-N-methylcyclohex-3-en-1-amine?
4-fluoro-N-methylcyclohex-3-en-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 59640412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).